SEQ2FUN

BioLiP

PDB CCD ID: ENK
Number of entries in BioLiP: 2
Chemical formula: C9 H9 N3 O
InChI: InChI=1S/C9H9N3O/c10-6-8-11-9(12-13-8)7-4-2-1-3-5-7/h1-5H,6,10H2
InChIKey: QFBMJBDECSEYCZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2nc(on2)CN
CACTVS 3.385NCc1onc(n1)c2ccccc2
Name:(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine
ZINC: ZINC000003882675
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).